CID 21213

1-(5-methylfurfuryl)biguanide monohydrochloride

Structural Information

Molecular Formula
C8H13N5O
SMILES
CC1=CC=C(O1)CN=C(N)N=C(N)N
InChI
InChI=1S/C8H13N5O/c1-5-2-3-6(14-5)4-12-8(11)13-7(9)10/h2-3H,4H2,1H3,(H6,9,10,11,12,13)
InChIKey
PDNMSYJCDHLCRW-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

195.11201 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11929 146.3
[M+Na]+ 218.10123 151.7
[M+NH4]+ 213.14583 152.3
[M+K]+ 234.07517 150.6
[M-H]- 194.10473 150.2
[M+Na-2H]- 216.08668 149.1
[M]+ 195.11146 147.4
[M]- 195.11256 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe